Commit aba7e8fb authored by giannozz's avatar giannozz

TS vdW should work also for atomic symbols in LSDA style, e.g. Fe1, Fe2 ...

parent 056e0a79
......@@ -549,7 +549,7 @@ PRIVATE :: GetVdWParam
!
! Populate reference free atom quantities...
!
CALL GetVdWParam(atm(is),C6AAfree(is),dpfree(is),R0free(is))
CALL GetVdWParam(upf(is)%psd,C6AAfree(is),dpfree(is),R0free(is))
!
WRITE(stdout,'(5X,"The free atom static dipole polarizability is ",F13.6," bohr^3.")') dpfree(is)
WRITE(stdout,'(5X,"The free atom homonuclear C6 coefficient is ",F13.6," Hartree bohr^6.")') C6AAfree(is)
......@@ -2444,7 +2444,7 @@ PRIVATE :: GetVdWParam
!
! I/O variables
!
CHARACTER(LEN=3) :: atom
CHARACTER(LEN=2) :: atom
REAL(DP) :: C6,alpha,R0
!
SELECT CASE (atom)
......
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